| General Property |
| Molceule ID (DB) | EGIN0000129 |
| Inhibitor Class | Pyrazole-thio-urea |
| Molecule Name in Refrence Article | C15 compound |
| IUPAC Name | (5S)-3-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Formula | C17H15Cl2N3OS |
| Mass | 380.292 |
| Exact Mass | 379.0312882 |
| Composition | C (53.69%), H (3.98%), Cl (18.65%), N (11.05%), O (4.21%), S (8.43%) |
| Atom Count | 39 |
| PI | 6.17 |
| Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)OC)C(=S)N)c1cc(c(cc1)Cl)Cl |
| InChI | 1S/C17H15Cl2N3OS/c1-23-12-5-2-10(3-6-12)16-9-15(21-22(16)17(20)24)11-4-7-13(18)14(19)8-11/h2-8,16H,9
H2,1H3,(H2,20,24)/t16-/m0/s1 |
| InChIKey | IHEPFUCGBHRUNZ-INIZCTEOSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 20627597 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 25051353 |
| ChEMBL Link | CHEMBL1172915 |
